2-[2-[[3-(2-ethoxyethyl)-6-methoxy-1,3-benzothiazol-2-ylidene]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C20H24N4O5S2 — CID 4219634

About 2-[2-[[3-(2-ethoxyethyl)-6-methoxy-1,3-benzothiazol-2-ylidene]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[2-[[3-(2-ethoxyethyl)-6-methoxy-1,3-benzothiazol-2-ylidene]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 4219634) has the molecular formula C20H24N4O5S2 and a molecular weight of 464.57 g/mol. Its IUPAC name is 2-[2-[[3-(2-ethoxyethyl)-6-methoxy-1,3-benzothiazol-2-ylidene]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

• Compound Name: 2-[2-[[3-(2-ethoxyethyl)-6-methoxy-1,3-benzothiazol-2-ylidene]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
• PubChem CID: 4219634
• Molecular Formula: C20H24N4O5S2
• Molecular Weight: 464.57 g/mol
• Exact Mass: 464.12
• IUPAC Name: 2-[2-[[3-(2-ethoxyethyl)-6-methoxy-1,3-benzothiazol-2-ylidene]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
• SMILES: CCOCCn1/c(=N/C(=O)CSCC(=O)Nc2cc(C)on2)sc2cc(OC)ccc21
• InChI: InChI=1S/C20H24N4O5S2/c1-4-28-8-7-24-15-6-5-14(27-3)10-16(15)31-20(24)22-19(26)12-30-11-18(25)21-17-9-13(2)29-23-17/h5-6,9-10H,4,7-8,11-12H2,1-3H3,(H,21,23,25)/b22-20-
• InChIKey: SDKFQXBJMBFPAX-XDOYNYLZSA-N
• XLogP: 2.84
• TPSA: 107.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.57
LogP ≤ 5	2.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[3-(2-ethoxyethyl)-6-methoxy-1,3-benzothiazol-2-ylidene]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?

The IUPAC name of 2-[2-[[3-(2-ethoxyethyl)-6-methoxy-1,3-benzothiazol-2-ylidene]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 4219634) is 2-[2-[[3-(2-ethoxyethyl)-6-methoxy-1,3-benzothiazol-2-ylidene]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

What is the SMILES notation for 2-[2-[[3-(2-ethoxyethyl)-6-methoxy-1,3-benzothiazol-2-ylidene]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?

The canonical SMILES for 2-[2-[[3-(2-ethoxyethyl)-6-methoxy-1,3-benzothiazol-2-ylidene]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is CCOCCn1/c(=N/C(=O)CSCC(=O)Nc2cc(C)on2)sc2cc(OC)ccc21.

What is the InChIKey of 2-[2-[[3-(2-ethoxyethyl)-6-methoxy-1,3-benzothiazol-2-ylidene]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?

The InChIKey is SDKFQXBJMBFPAX-XDOYNYLZSA-N. The full InChI is InChI=1S/C20H24N4O5S2/c1-4-28-8-7-24-15-6-5-14(27-3)10-16(15)31-20(24)22-19(26)12-30-11-18(25)21-17-9-13(2)29-23-17/h5-6,9-10H,4,7-8,11-12H2,1-3H3,(H,21,23,25)/b22-20-.

What are the key properties of 2-[2-[[3-(2-ethoxyethyl)-6-methoxy-1,3-benzothiazol-2-ylidene]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?

2-[2-[[3-(2-ethoxyethyl)-6-methoxy-1,3-benzothiazol-2-ylidene]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 464.57 g/mol, XLogP of 2.84, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[[3-(2-ethoxyethyl)-6-methoxy-1,3-benzothiazol-2-ylidene]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 4219634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).